#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk s GLN 3 N 0.00 3.11 -0.00 5.31 -0.21 -1.26 -3.96 119.66 122.65 2wrk s GLN 3 Ca 0.00 -0.78 -0.11 0.00 0.02 0.00 0.00 55.36 54.50 2wrk s GLN 3 Cb 0.00 -2.81 -0.05 0.00 1.00 0.00 0.00 33.01 31.15 2wrk s GLN 3 CO 0.00 -0.24 0.33 0.71 -2.12 0.00 0.00 175.29 173.97 2wrk s TYR 4 N 1.37 3.64 0.10 0.91 1.51 0.22 -4.91 117.35 120.19 2wrk s TYR 4 Ca 0.04 0.78 0.02 0.00 -1.01 0.00 0.00 57.07 56.90 2wrk s TYR 4 Cb -0.14 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 2wrk s TYR 4 CO -0.08 0.63 -0.08 -0.47 -1.11 0.00 0.00 175.55 174.44 2wrk s TYR 5 N -1.19 0.95 -0.28 2.71 6.04 -1.26 0.02 117.35 124.34 2wrk s TYR 5 Ca 0.25 -0.84 -0.27 0.00 0.04 0.00 0.00 57.07 56.25 2wrk s TYR 5 Cb -0.14 -0.53 0.18 0.00 -1.04 0.00 0.00 41.96 40.43 2wrk s TYR 5 CO 0.13 -0.09 1.35 0.20 -1.54 0.00 0.00 175.55 175.60 2wrk s GLY 6 N -2.90 0.16 -0.16 8.97 0.00 -1.19 -3.69 107.32 108.51 2wrk s GLY 6 Ca 0.10 3.05 -0.01 0.00 0.00 0.00 0.00 44.72 47.87 2wrk s GLY 6 CO -0.03 1.46 -0.13 -1.59 0.00 0.00 0.00 173.10 172.81 2wrk s THR 7 N -0.56 2.83 0.10 0.90 2.01 -1.26 -2.57 115.64 117.09 2wrk s THR 7 Ca 0.07 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.45 2wrk s THR 7 Cb -0.03 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2wrk s THR 7 CO -0.10 0.50 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.30 2wrk s GLY 8 N 0.87 1.63 -0.11 4.40 0.00 -0.93 -4.55 107.32 108.63 2wrk s GLY 8 Ca -0.04 -1.34 -0.08 0.00 0.00 0.00 0.00 44.72 43.26 2wrk s GLY 8 CO -0.00 -1.29 0.27 0.50 0.00 0.00 0.00 173.10 172.58 2wrk s ARG 9 N -1.93 0.29 -0.40 2.90 0.52 -1.26 -0.32 118.95 118.75 2wrk s ARG 9 Ca 0.16 0.43 0.03 0.00 -0.52 0.00 0.00 55.73 55.83 2wrk s ARG 9 Cb -0.10 0.08 0.16 0.00 0.52 0.00 0.00 34.95 35.61 2wrk s ARG 9 CO 0.08 -0.07 0.31 1.03 0.02 0.00 0.00 175.30 176.67 2wrk s ARG 10 N 0.48 0.83 -0.19 3.54 1.81 -0.65 -4.83 118.95 119.95 2wrk s ARG 10 Ca -0.03 -1.94 -0.10 0.00 -1.72 0.00 0.00 55.73 51.94 2wrk s ARG 10 Cb -0.04 -1.40 0.04 0.00 -0.45 0.00 0.00 34.95 33.09 2wrk s ARG 10 CO -0.02 -1.35 0.19 1.17 -0.68 0.00 0.00 175.30 174.61 2wrk n LYS 11 N 3.11 -4.10 0.00 3.54 4.81 -1.26 -3.51 118.16 120.75 2wrk n LYS 11 Ca 0.26 3.14 0.00 0.00 -0.87 0.00 0.00 58.31 60.83 2wrk n LYS 11 Cb 0.45 -4.67 0.00 0.00 0.02 0.00 0.00 35.03 30.84 2wrk n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wrk n GLU 12 N 1.65 0.00 -3.86 1.64 -0.58 -1.26 -4.85 120.64 113.38 2wrk n GLU 12 Ca -0.32 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.07 2wrk n GLU 12 Cb 0.51 -3.15 -0.10 0.00 -0.57 0.00 0.00 31.44 28.13 2wrk n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrk s ALA 13 N -1.03 3.46 -0.09 0.62 0.00 -1.23 -3.46 121.76 120.03 2wrk s ALA 13 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2wrk s ALA 13 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2wrk s ALA 13 CO 0.00 0.00 -0.20 0.08 0.00 0.00 0.00 175.76 175.64 2wrk s VAL 14 N 0.69 1.78 -0.01 0.00 1.01 -1.07 -1.63 120.40 121.18 2wrk s VAL 14 Ca 0.05 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2wrk s VAL 14 Cb -0.13 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2wrk s VAL 14 CO 0.02 0.50 -0.15 0.00 0.00 0.00 0.00 175.10 175.46 2wrk s ALA 15 N 0.45 1.25 -0.25 5.51 0.00 0.56 -0.86 121.76 128.42 2wrk s ALA 15 Ca -0.17 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 2wrk s ALA 15 Cb -0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2wrk s ALA 15 CO 0.07 0.30 0.02 1.03 0.00 0.00 0.00 175.76 177.18 2wrk s ARG 16 N -0.42 3.38 -0.15 0.00 0.52 0.15 -2.19 118.95 120.24 2wrk s ARG 16 Ca 0.06 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 2wrk s ARG 16 Cb -0.06 -3.19 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 2wrk s ARG 16 CO -0.00 -0.26 -0.15 0.08 0.02 0.00 0.00 175.30 174.99 2wrk s VAL 17 N 1.52 2.73 -0.30 3.52 1.01 -1.06 0.24 120.40 128.06 2wrk s VAL 17 Ca 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2wrk s VAL 17 Cb -0.15 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.14 2wrk s VAL 17 CO 0.00 0.52 -0.02 -0.36 0.00 0.00 0.00 175.10 175.24 2wrk s PHE 18 N 0.73 3.36 -0.32 5.22 2.99 0.11 -3.16 117.98 126.90 2wrk s PHE 18 Ca -0.07 -2.23 -0.18 0.00 0.00 0.00 0.00 56.93 54.45 2wrk s PHE 18 Cb -0.15 -2.24 -0.01 0.00 0.00 0.00 0.00 43.02 40.62 2wrk s PHE 18 CO 0.01 -0.87 0.51 -0.51 -0.00 0.00 0.00 175.22 174.37 2wrk s LEU 19 N 1.14 4.24 0.06 -0.37 1.43 0.10 0.34 118.68 125.62 2wrk s LEU 19 Ca -0.03 0.14 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 2wrk s LEU 19 Cb -0.20 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2wrk s LEU 19 CO -0.04 -0.41 -0.24 -0.13 0.23 0.00 0.00 176.35 175.76 2wrk s ARG 20 N 2.36 1.59 0.49 1.70 0.52 -1.26 0.68 118.95 125.03 2wrk s ARG 20 Ca 0.19 -1.08 -0.22 0.00 -0.52 0.00 0.00 55.73 54.11 2wrk s ARG 20 Cb -0.15 -1.78 -0.07 0.00 0.52 0.00 0.00 34.95 33.46 2wrk s ARG 20 CO 0.12 0.45 1.13 -2.14 0.02 0.00 0.00 175.30 174.89 2wrk s PRO 21 N -1.33 3.65 0.00 3.54 0.02 -1.25 0.24 135.00 139.87 2wrk s PRO 21 Ca 0.10 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.79 2wrk s PRO 21 Cb -0.10 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 32.17 2wrk s PRO 21 CO 0.02 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 2wrk n GLY 22 N 0.29 -0.54 0.15 0.52 0.00 0.16 -4.44 105.19 101.33 2wrk n GLY 22 Ca 0.09 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 2wrk n GLY 22 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2wrk h ASN 23 N 0.00 0.43 0.00 1.61 7.08 -1.83 -3.30 115.58 119.58 2wrk h ASN 23 Ca 0.00 -0.39 0.00 0.00 -3.08 0.00 0.00 56.30 52.83 2wrk h ASN 23 Cb 0.00 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 36.12 2wrk h ASN 23 CO 0.00 0.73 0.00 0.61 -2.08 0.00 0.00 177.43 176.69 2wrk n GLY 24 N -0.07 -0.71 3.81 9.14 0.00 -1.19 -3.41 105.19 112.77 2wrk n GLY 24 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2wrk n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wrk s LYS 25 N 0.00 2.89 -0.01 1.61 -2.85 -1.25 -4.77 119.74 115.36 2wrk s LYS 25 Ca 0.00 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 55.97 2wrk s LYS 25 Cb 0.00 -1.98 0.01 0.00 -2.06 0.00 0.00 37.83 33.80 2wrk s LYS 25 CO 0.00 -1.14 0.01 0.08 0.10 0.00 0.00 175.35 174.40 2wrk s VAL 26 N -2.98 0.01 -0.20 1.79 1.01 -1.26 -3.65 120.40 115.12 2wrk s VAL 26 Ca 0.59 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 2wrk s VAL 26 Cb -0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 2wrk s VAL 26 CO 0.54 0.05 -0.01 -0.89 0.00 0.00 0.00 175.10 174.79 2wrk s THR 27 N 0.52 3.91 -0.13 3.92 2.01 -0.73 -2.71 115.64 122.43 2wrk s THR 27 Ca -0.04 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 2wrk s THR 27 Cb -0.07 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 2wrk s THR 27 CO -0.01 0.43 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.55 2wrk s VAL 28 N 0.96 3.22 -1.59 3.82 1.01 0.68 0.90 120.40 129.41 2wrk s VAL 28 Ca 0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2wrk s VAL 28 Cb -0.14 -2.36 0.08 0.00 0.00 0.00 0.00 36.38 33.95 2wrk s VAL 28 CO 0.02 0.52 0.47 0.59 0.00 0.00 0.00 175.10 176.69 2wrk n ASN 29 N 3.50 -1.17 -3.72 3.32 4.13 0.13 0.35 115.26 121.80 2wrk n ASN 29 Ca -0.18 -1.09 -0.24 0.00 1.68 0.00 0.00 54.58 54.75 2wrk n ASN 29 Cb 0.53 -2.49 0.03 0.00 -1.54 0.00 0.00 39.78 36.30 2wrk n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wrk n GLY 30 N -1.83 -0.46 3.68 7.41 0.00 -1.26 -4.96 105.19 107.77 2wrk n GLY 30 Ca -0.14 0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 2wrk n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wrk s GLN 31 N -6.00 1.61 0.04 1.61 0.74 0.15 -5.13 119.66 112.68 2wrk s GLN 31 Ca 0.12 -1.07 -0.30 0.00 0.05 0.00 0.00 55.36 54.16 2wrk s GLN 31 Cb -0.04 0.54 -0.04 0.00 1.10 0.00 0.00 33.01 34.57 2wrk s GLN 31 CO 0.83 -0.70 1.07 0.34 -0.55 0.00 0.00 175.29 176.28 2wrk s ASP 32 N -2.95 7.26 0.00 6.67 -1.08 -1.26 -0.23 116.67 125.07 2wrk s ASP 32 Ca 0.15 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 54.00 2wrk s ASP 32 Cb -0.03 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 2wrk s ASP 32 CO 0.06 -0.33 0.89 0.33 0.52 0.00 0.00 175.17 176.63 2wrk n PHE 33 N 3.81 0.00 0.08 -5.34 7.35 -1.10 -0.40 117.46 121.86 2wrk n PHE 33 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2wrk n PHE 33 Cb 0.49 -0.39 0.00 0.00 0.35 0.00 0.00 39.48 39.93 2wrk n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2wrk n ASN 34 N -2.19 0.61 0.00 -2.13 4.13 -1.26 -0.77 115.26 113.64 2wrk n ASN 34 Ca 0.00 -0.61 0.00 0.00 1.68 0.00 0.00 54.58 55.65 2wrk n ASN 34 Cb 0.00 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 2wrk n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2wrk n GLU 35 N 1.24 2.49 0.08 3.52 2.13 -0.67 -4.51 120.64 124.93 2wrk n GLU 35 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 2wrk n GLU 35 Cb 0.08 -0.28 -0.02 0.00 0.27 0.00 0.00 31.44 31.49 2wrk n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2wrk h TYR 36 N 0.00 0.00 -0.89 4.31 3.20 0.14 -3.29 116.97 120.44 2wrk h TYR 36 Ca 0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 2wrk h TYR 36 Cb 0.00 0.00 -0.43 0.00 1.54 0.00 0.00 36.73 37.84 2wrk h TYR 36 CO 0.00 0.19 -0.82 1.19 -1.64 0.00 0.00 178.16 177.07 2wrk n PHE 37 N -2.76 2.79 -2.61 -3.82 0.99 -0.31 -5.05 117.46 106.70 2wrk n PHE 37 Ca -0.03 -2.41 -0.42 0.00 -0.00 0.00 0.00 57.45 54.59 2wrk n PHE 37 Cb 0.64 -0.28 -0.03 0.00 -1.00 0.00 0.00 39.48 38.81 2wrk n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2wrk s GLN 38 N -3.59 4.38 0.00 -1.08 0.74 -1.24 -3.30 119.66 115.56 2wrk s GLN 38 Ca 0.49 1.49 0.00 0.00 0.05 0.00 0.00 55.36 57.38 2wrk s GLN 38 Cb 0.40 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.95 2wrk s GLN 38 CO -0.01 -0.39 0.00 0.41 -0.55 0.00 0.00 175.29 174.75 2wrk n GLY 39 N 3.21 3.26 3.56 2.59 0.00 -1.26 -4.99 105.19 111.56 2wrk n GLY 39 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2wrk n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrk s LEU 40 N 0.00 3.31 0.00 0.99 1.43 -1.21 -4.84 118.68 118.36 2wrk s LEU 40 Ca 0.00 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 2wrk s LEU 40 Cb 0.00 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.66 2wrk s LEU 40 CO 0.00 -1.99 0.00 0.52 0.23 0.00 0.00 176.35 175.11 2wrk n VAL 41 N 7.00 0.00 0.03 -1.59 0.31 -1.26 -2.45 118.33 120.37 2wrk n VAL 41 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2wrk n VAL 41 Cb 0.50 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 2wrk n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wrk n ARG 42 N 0.79 0.00 0.00 5.55 0.63 -1.26 -4.91 116.66 117.45 2wrk n ARG 42 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2wrk n ARG 42 Cb 0.00 -0.19 0.00 0.00 0.45 0.00 0.00 32.46 32.72 2wrk n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrk n ALA 43 N -2.89 0.00 0.22 5.13 0.00 -1.02 0.22 120.51 122.17 2wrk n ALA 43 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2wrk n ALA 43 Cb 0.14 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.71 2wrk n ALA 43 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wrk h VAL 44 N 0.00 0.00 -0.57 0.00 -1.51 -1.91 -0.39 116.25 111.86 2wrk h VAL 44 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.41 2wrk h VAL 44 Cb 0.00 0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 29.23 2wrk h VAL 44 CO 0.00 0.00 0.12 0.00 -1.23 0.00 0.00 177.57 176.46 2wrk h ALA 45 N 0.27 0.76 -0.24 5.19 0.00 -0.60 -2.97 119.26 121.68 2wrk h ALA 45 Ca 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2wrk h ALA 45 Cb 1.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2wrk h ALA 45 CO 0.00 0.49 0.47 0.00 0.00 0.00 0.00 179.25 180.21 2wrk h ALA 46 N 1.02 1.81 -0.31 0.00 0.00 -1.22 0.44 119.26 121.00 2wrk h ALA 46 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wrk h ALA 46 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wrk h ALA 46 CO 0.01 -0.59 0.00 1.28 0.00 0.00 0.00 179.25 179.94 2wrk n LEU 47 N -3.26 2.86 0.05 0.00 4.32 -1.12 -4.09 117.00 115.76 2wrk n LEU 47 Ca 0.04 -1.22 0.07 0.00 -0.02 0.00 0.00 56.01 54.88 2wrk n LEU 47 Cb 0.58 -0.20 0.51 0.00 -1.62 0.00 0.00 43.42 42.69 2wrk n LEU 47 CO 0.20 0.61 1.14 -0.08 -1.22 0.00 0.00 177.39 178.04 2wrk h GLU 48 N 3.72 0.35 -0.81 3.23 4.57 -0.22 -2.37 114.58 123.05 2wrk h GLU 48 Ca 0.00 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2wrk h GLU 48 Cb 0.82 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 2wrk h GLU 48 CO 0.00 0.23 0.43 -1.00 -1.18 0.00 0.00 179.01 177.50 2wrk h PRO 49 N 0.36 1.14 0.35 0.92 0.13 -1.79 -2.66 132.00 130.46 2wrk h PRO 49 Ca 0.14 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2wrk h PRO 49 Cb 0.10 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.01 2wrk h PRO 49 CO -0.03 0.85 -0.17 -0.07 -0.23 0.00 0.00 178.00 178.36 2wrk h LEU 50 N 1.14 -0.40 -1.64 1.56 3.38 -1.75 -0.59 115.31 117.02 2wrk h LEU 50 Ca 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2wrk h LEU 50 Cb 0.05 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wrk h LEU 50 CO -0.04 -0.26 0.35 0.03 0.09 0.00 0.00 178.44 178.61 2wrk h ARG 51 N -0.49 0.00 -0.69 1.13 3.08 -1.37 0.98 114.38 117.01 2wrk h ARG 51 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2wrk h ARG 51 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wrk h ARG 51 CO 0.08 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.98 2wrk n ALA 52 N -1.79 3.14 -1.50 0.04 0.00 -0.23 -1.51 120.51 118.67 2wrk n ALA 52 Ca -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2wrk n ALA 52 Cb 0.39 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2wrk n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wrk n VAL 53 N 0.45 0.00 0.00 0.00 0.24 0.32 -4.92 118.33 114.42 2wrk n VAL 53 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 2wrk n VAL 53 Cb 0.72 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 2wrk n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wrk n ASP 54 N 0.00 0.00 -2.05 -1.34 8.00 -0.57 -4.88 116.55 115.72 2wrk n ASP 54 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 2wrk n ASP 54 Cb 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.43 2wrk n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wrk n ALA 55 N 0.00 3.94 -0.13 2.24 0.00 -1.24 -4.13 120.51 121.20 2wrk n ALA 55 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 53.44 52.37 2wrk n ALA 55 Cb 0.00 -2.03 -0.11 0.00 0.00 0.00 0.00 19.45 17.32 2wrk n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wrk n LEU 56 N 2.40 2.01 -2.34 0.00 0.00 -1.26 -4.50 117.00 113.31 2wrk n LEU 56 Ca 0.19 0.33 -0.20 0.00 0.00 0.00 0.00 56.01 56.33 2wrk n LEU 56 Cb 0.49 -0.87 -0.12 0.00 0.00 0.00 0.00 43.42 42.93 2wrk n LEU 56 CO 0.12 0.53 1.86 0.61 0.00 0.00 0.00 177.39 180.51 2wrk n GLY 57 N 1.36 3.57 0.00 -3.96 0.00 -1.26 -3.76 105.19 101.14 2wrk n GLY 57 Ca -0.49 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2wrk n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wrk n HIS 58 N 2.20 0.00 -4.27 1.61 8.25 -1.22 -4.44 115.22 117.35 2wrk n HIS 58 Ca 0.49 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.73 2wrk n HIS 58 Cb 0.72 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.71 2wrk n HIS 58 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2wrk s PHE 59 N -0.21 1.69 -2.21 4.41 0.40 -1.24 0.39 117.98 121.21 2wrk s PHE 59 Ca 0.00 -0.44 0.21 0.00 -0.60 0.00 0.00 56.93 56.10 2wrk s PHE 59 Cb 0.00 -0.91 0.40 0.00 0.51 0.00 0.00 43.02 43.01 2wrk s PHE 59 CO 0.00 0.20 1.35 -0.25 0.70 0.00 0.00 175.22 177.22 2wrk n ASP 60 N 0.96 3.33 0.00 1.36 10.43 0.65 -3.14 116.55 130.14 2wrk n ASP 60 Ca -0.19 -1.95 0.00 0.00 2.57 0.00 0.00 54.79 55.22 2wrk n ASP 60 Cb 0.54 -0.24 0.00 0.00 1.84 0.00 0.00 41.12 43.26 2wrk n ASP 60 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wrk n ALA 61 N 1.34 -0.42 -3.25 2.24 0.00 -1.24 -4.02 120.51 115.16 2wrk n ALA 61 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 2wrk n ALA 61 Cb 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.88 2wrk n ALA 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2wrk s TYR 62 N 0.00 2.94 0.10 0.00 5.04 0.15 -1.77 117.35 123.80 2wrk s TYR 62 Ca 0.00 -0.70 0.09 0.00 -2.44 0.00 0.00 57.07 54.02 2wrk s TYR 62 Cb 0.00 -2.00 -0.03 0.00 0.35 0.00 0.00 41.96 40.27 2wrk s TYR 62 CO 0.00 -0.33 -0.23 0.42 -1.34 0.00 0.00 175.55 174.07 2wrk s ILE 63 N 0.91 1.87 -0.26 3.14 1.01 0.26 0.07 121.20 128.20 2wrk s ILE 63 Ca -0.01 -1.53 -0.02 0.00 0.00 0.00 0.00 60.65 59.08 2wrk s ILE 63 Cb -0.15 -1.67 0.08 0.00 0.01 0.00 0.00 42.46 40.74 2wrk s ILE 63 CO 0.01 0.05 0.08 -0.89 0.00 0.00 0.00 174.94 174.18 2wrk s THR 64 N -1.05 0.56 -0.08 2.92 2.01 0.14 -0.70 115.64 119.44 2wrk s THR 64 Ca 0.09 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.17 2wrk s THR 64 Cb -0.10 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 2wrk s THR 64 CO 0.04 -0.49 -0.11 0.54 -0.69 0.00 0.00 174.62 173.92 2wrk s VAL 65 N 1.80 3.33 0.01 3.82 0.11 -1.26 0.34 120.40 128.55 2wrk s VAL 65 Ca 0.05 -0.60 0.03 0.00 -2.93 0.00 0.00 61.98 58.53 2wrk s VAL 65 Cb -0.17 -2.35 -0.01 0.00 -1.53 0.00 0.00 36.38 32.31 2wrk s VAL 65 CO -0.20 0.57 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.44 2wrk s ARG 66 N -0.46 0.75 0.28 1.54 3.52 -0.04 -4.90 118.95 119.65 2wrk s ARG 66 Ca 0.06 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 2wrk s ARG 66 Cb -0.12 -0.71 0.00 0.00 -1.56 0.00 0.00 34.95 32.55 2wrk s ARG 66 CO 0.02 0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.11 2wrk n GLY 67 N 2.50 -3.01 3.51 8.12 0.00 -1.26 -2.59 105.19 112.46 2wrk n GLY 67 Ca -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2wrk n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrk n GLY 68 N -2.98 0.08 3.69 -0.02 0.00 -1.22 -4.28 105.19 100.45 2wrk n GLY 68 Ca -0.04 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 2wrk n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrk s GLY 69 N 0.00 2.31 0.23 -0.02 0.00 -1.26 -5.03 107.32 103.56 2wrk s GLY 69 Ca 0.00 -2.12 -0.06 0.00 0.00 0.00 0.00 44.72 42.54 2wrk s GLY 69 CO 0.00 -1.94 1.82 1.70 0.00 0.00 0.00 173.10 174.67 2wrk h LYS 70 N 1.57 0.78 -0.40 2.90 1.63 -2.00 -2.60 116.57 118.44 2wrk h LYS 70 Ca -0.43 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.25 2wrk h LYS 70 Cb 1.25 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2wrk h LYS 70 CO 0.71 0.51 -0.02 1.03 -3.45 0.00 0.00 179.45 178.24 2wrk h SER 71 N 0.80 0.71 -0.33 4.20 0.87 -1.99 -2.13 113.55 115.68 2wrk h SER 71 Ca 0.37 -0.32 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2wrk h SER 71 Cb 0.27 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 2wrk h SER 71 CO -0.21 0.86 0.04 1.23 -0.53 0.00 0.00 176.83 178.22 2wrk h GLY 72 N 0.55 0.37 0.08 5.77 0.00 -1.81 -2.54 103.07 105.49 2wrk h GLY 72 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.45 2wrk h GLY 72 CO 0.02 -0.04 -0.34 1.46 0.00 0.00 0.00 176.54 177.65 2wrk h GLN 73 N 0.15 -0.46 0.00 4.80 4.20 -1.39 0.11 115.11 122.52 2wrk h GLN 73 Ca 0.16 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2wrk h GLN 73 Cb 0.19 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2wrk h GLN 73 CO -0.23 -0.31 0.76 0.82 -0.67 0.00 0.00 178.83 179.20 2wrk h ILE 74 N -0.48 0.00 0.00 2.54 2.04 -0.99 2.06 117.51 122.68 2wrk h ILE 74 Ca -0.00 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.63 2wrk h ILE 74 Cb 0.48 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2wrk h ILE 74 CO -0.18 0.00 -2.21 0.47 0.00 0.00 0.00 178.15 176.23 2wrk n ASP 75 N -2.43 0.02 0.20 1.72 10.43 0.10 -3.35 116.55 123.25 2wrk n ASP 75 Ca -0.01 0.01 0.05 0.00 2.57 0.00 0.00 54.79 57.42 2wrk n ASP 75 Cb 0.77 1.37 0.44 0.00 1.84 0.00 0.00 41.12 45.54 2wrk n ASP 75 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wrk h ALA 76 N 1.40 1.36 0.01 2.24 0.00 0.56 -2.70 119.26 122.12 2wrk h ALA 76 Ca -0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2wrk h ALA 76 Cb 1.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2wrk h ALA 76 CO 0.02 0.38 -0.06 0.82 0.00 0.00 0.00 179.25 180.41 2wrk h ILE 77 N 0.00 1.70 -1.51 0.00 2.04 -1.33 -2.10 117.51 116.30 2wrk h ILE 77 Ca -0.00 -2.14 0.50 0.00 1.00 0.00 0.00 64.86 64.21 2wrk h ILE 77 Cb 0.59 3.15 -0.12 0.00 -0.74 0.00 0.00 36.82 39.69 2wrk h ILE 77 CO 0.04 0.56 1.01 1.17 0.00 0.00 0.00 178.15 180.93 2wrk n LYS 78 N -4.61 -0.03 -0.00 2.37 4.81 -1.03 -0.45 118.16 119.22 2wrk n LYS 78 Ca -0.10 1.20 -0.00 0.00 -0.87 0.00 0.00 58.31 58.54 2wrk n LYS 78 Cb 0.46 -2.45 -0.00 0.00 0.02 0.00 0.00 35.03 33.06 2wrk n LYS 78 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2wrk h LEU 79 N 0.00 0.00 -0.38 3.14 7.12 -1.52 -3.20 115.31 120.48 2wrk h LEU 79 Ca 0.89 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.97 2wrk h LEU 79 Cb 3.05 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 43.11 2wrk h LEU 79 CO -0.35 0.01 -0.11 0.61 -0.13 0.00 0.00 178.44 178.48 2wrk n GLY 80 N 1.99 -0.67 0.44 3.75 0.00 0.41 0.18 105.19 111.29 2wrk n GLY 80 Ca -0.00 0.41 -0.17 0.00 0.00 0.00 0.00 46.02 46.26 2wrk n GLY 80 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wrk h ILE 81 N 0.00 0.00 -0.00 -0.61 1.08 -1.04 0.86 117.51 117.80 2wrk h ILE 81 Ca 0.17 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 2wrk h ILE 81 Cb 0.26 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.01 2wrk h ILE 81 CO -0.39 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.07 2wrk h ALA 82 N -1.40 1.93 0.00 1.87 0.00 0.14 0.14 119.26 121.94 2wrk h ALA 82 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wrk h ALA 82 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2wrk h ALA 82 CO 0.14 -0.00 0.00 -0.09 0.00 0.00 0.00 179.25 179.30 2wrk h ARG 83 N 0.00 0.00 0.00 0.00 2.43 0.23 -3.21 114.38 113.83 2wrk h ARG 83 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wrk h ARG 83 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wrk h ARG 83 CO -0.00 0.00 -0.52 0.00 -1.51 0.00 0.00 179.97 177.94 2wrk n ALA 84 N -1.93 0.46 0.00 2.80 0.00 0.27 -4.15 120.51 117.97 2wrk n ALA 84 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2wrk n ALA 84 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2wrk n ALA 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2wrk n LEU 85 N -4.05 0.00 -0.06 0.00 -0.00 -0.06 0.23 117.00 113.07 2wrk n LEU 85 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.93 2wrk n LEU 85 Cb 0.27 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.54 2wrk n LEU 85 CO 0.11 0.00 -0.95 0.55 -0.00 0.00 0.00 177.39 177.10 2wrk n VAL 86 N -0.52 0.71 0.01 1.47 3.14 -1.21 -4.41 118.33 117.51 2wrk n VAL 86 Ca 0.00 -0.65 -0.12 0.00 -2.96 0.00 0.00 64.34 60.61 2wrk n VAL 86 Cb 0.00 -0.26 -0.09 0.00 -1.06 0.00 0.00 33.84 32.43 2wrk n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 2wrk h GLN 87 N 0.00 -0.09 -2.50 1.45 4.15 0.28 -3.20 115.11 115.20 2wrk h GLN 87 Ca -0.28 0.01 -0.62 0.00 0.77 0.00 0.00 58.65 58.53 2wrk h GLN 87 Cb 1.61 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 29.22 2wrk h GLN 87 CO 0.02 0.46 1.99 0.66 -1.93 0.00 0.00 178.83 180.02 2wrk n TYR 88 N -4.84 2.08 0.00 3.99 4.02 -1.14 -4.44 117.16 116.82 2wrk n TYR 88 Ca -0.08 -2.55 0.00 0.00 -0.01 0.00 0.00 57.90 55.25 2wrk n TYR 88 Cb 0.29 -1.85 0.00 0.00 -0.02 0.00 0.00 39.34 37.77 2wrk n TYR 88 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wrk n ASN 89 N 1.99 0.00 -0.07 7.72 2.85 -1.24 -4.98 115.26 121.53 2wrk n ASN 89 Ca 0.61 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.93 2wrk n ASN 89 Cb 0.38 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.34 2wrk n ASN 89 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wrk h PRO 90 N 0.00 0.72 -0.10 1.20 0.13 -1.77 -3.08 132.00 129.10 2wrk h PRO 90 Ca 0.00 -0.45 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2wrk h PRO 90 Cb 0.00 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.18 2wrk h PRO 90 CO 0.00 1.07 0.62 -0.44 -0.23 0.00 0.00 178.00 179.03 2wrk h ASP 91 N 0.44 0.00 0.00 1.44 3.32 -1.95 -3.16 116.42 116.51 2wrk h ASP 91 Ca 0.01 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.46 2wrk h ASP 91 Cb 1.03 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.60 2wrk h ASP 91 CO 0.10 0.00 2.72 -1.22 -1.72 0.00 0.00 179.24 179.12 2wrk n TYR 92 N -2.85 2.18 0.00 4.55 4.02 -1.16 -2.20 117.16 121.71 2wrk n TYR 92 Ca 0.01 -2.24 0.00 0.00 -0.01 0.00 0.00 57.90 55.66 2wrk n TYR 92 Cb 0.68 -1.97 0.00 0.00 -0.02 0.00 0.00 39.34 38.03 2wrk n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2wrk n ARG 93 N 5.81 5.20 0.00 -0.72 3.00 -1.20 -4.41 116.66 124.34 2wrk n ARG 93 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.37 2wrk n ARG 93 Cb 0.32 -0.50 0.00 0.00 0.00 0.00 0.00 32.46 32.28 2wrk n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrk n ALA 94 N -0.06 1.83 -0.32 5.13 0.00 -0.93 -1.69 120.51 124.46 2wrk n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrk n ALA 94 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2wrk n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wrk n LYS 95 N 0.33 0.00 0.08 0.00 -0.00 -1.26 -4.86 118.16 112.45 2wrk n LYS 95 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2wrk n LYS 95 Cb 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.05 2wrk n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2wrk h LEU 96 N 0.00 0.25 0.04 -5.58 5.85 -1.53 -3.31 115.31 111.03 2wrk h LEU 96 Ca 0.00 -0.27 -0.34 0.00 0.84 0.00 0.00 57.88 58.11 2wrk h LEU 96 Cb 0.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2wrk h LEU 96 CO 0.00 1.21 -1.91 1.17 -0.34 0.00 0.00 178.44 178.57 2wrk n LYS 97 N -3.45 0.65 -0.32 1.25 3.00 -0.90 -2.78 118.16 115.60 2wrk n LYS 97 Ca -0.05 0.36 0.23 0.00 -0.00 0.00 0.00 58.31 58.84 2wrk n LYS 97 Cb 0.99 -1.66 0.45 0.00 0.00 0.00 0.00 35.03 34.81 2wrk n LYS 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 2wrk h PRO 98 N -0.51 0.15 -6.25 1.64 0.11 -1.75 -3.34 132.00 122.05 2wrk h PRO 98 Ca -0.47 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.02 2wrk h PRO 98 Cb 1.68 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.67 2wrk h PRO 98 CO -0.14 0.10 -0.61 -0.51 -0.21 0.00 0.00 178.00 176.64 2wrk s LEU 99 N -10.58 3.63 0.00 2.35 2.01 -1.24 -5.01 118.68 109.83 2wrk s LEU 99 Ca -0.10 -0.18 0.00 0.00 0.01 0.00 0.00 54.13 53.86 2wrk s LEU 99 Cb 0.30 -2.28 0.00 0.00 0.01 0.00 0.00 46.19 44.22 2wrk s LEU 99 CO 0.78 0.11 0.69 0.61 1.01 0.00 0.00 176.35 179.55 2wrk n GLY 100 N 0.02 1.47 0.09 -3.19 0.00 -1.25 -4.31 105.19 98.02 2wrk n GLY 100 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 2wrk n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wrk n PHE 101 N 0.50 0.37 -0.11 1.61 3.01 -1.12 -1.98 117.46 119.74 2wrk n PHE 101 Ca 0.00 0.19 -0.24 0.00 1.01 0.00 0.00 57.45 58.42 2wrk n PHE 101 Cb 0.34 -0.76 -0.11 0.00 -0.01 0.00 0.00 39.48 38.94 2wrk n PHE 101 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wrk n LEU 102 N -1.88 1.98 -4.54 4.37 4.77 -1.15 -4.68 117.00 115.87 2wrk n LEU 102 Ca -0.01 0.37 -0.53 0.00 -0.03 0.00 0.00 56.01 55.81 2wrk n LEU 102 Cb 0.08 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.18 2wrk n LEU 102 CO 0.05 0.42 0.66 0.41 -1.33 0.00 0.00 177.39 177.61 2wrk n THR 103 N -4.27 0.46 0.00 -5.08 -1.04 -0.84 -5.01 114.28 98.50 2wrk n THR 103 Ca -0.39 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 2wrk n THR 103 Cb 0.78 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 2wrk n THR 103 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2wrk n ARG 104 N 1.84 0.00 0.00 -2.82 0.63 -1.26 -5.04 116.66 110.01 2wrk n ARG 104 Ca 0.18 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.69 2wrk n ARG 104 Cb 0.18 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 31.69 2wrk n ARG 104 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2wrk n ASP 105 N -2.02 0.00 -0.51 6.15 2.03 -1.26 -4.83 116.55 116.11 2wrk n ASP 105 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2wrk n ASP 105 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2wrk n ASP 105 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wrk n ALA 106 N 0.00 1.92 -2.01 -1.67 0.00 -1.26 -4.68 120.51 112.81 2wrk n ALA 106 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2wrk n ALA 106 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 2wrk n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wrk s ARG 107 N -0.99 4.20 0.23 0.00 0.52 -1.26 -4.97 118.95 116.69 2wrk s ARG 107 Ca 0.00 2.21 -0.04 0.00 -0.52 0.00 0.00 55.73 57.39 2wrk s ARG 107 Cb 0.00 -3.78 -0.03 0.00 0.52 0.00 0.00 34.95 31.66 2wrk s ARG 107 CO 0.00 -0.76 0.26 0.14 0.02 0.00 0.00 175.30 174.96 2wrk s VAL 108 N 3.27 0.00 0.24 3.52 -7.23 -1.26 -4.61 120.40 114.33 2wrk s VAL 108 Ca 0.72 -1.81 -0.31 0.00 -1.81 0.00 0.00 61.98 58.77 2wrk s VAL 108 Cb -0.35 -2.43 -0.12 0.00 0.56 0.00 0.00 36.38 34.03 2wrk s VAL 108 CO 0.30 0.00 1.64 0.52 -0.31 0.00 0.00 175.10 177.25 2wrk n VAL 109 N -0.35 0.50 -2.96 1.32 0.31 -1.26 -4.95 118.33 110.94 2wrk n VAL 109 Ca 0.01 -0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 63.82 2wrk n VAL 109 Cb 0.64 -1.90 -0.05 0.00 -0.91 0.00 0.00 33.84 31.62 2wrk n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wrk s GLU 110 N 0.33 4.51 0.41 5.55 2.12 -1.26 -5.00 118.70 125.36 2wrk s GLU 110 Ca 0.70 1.09 -0.25 0.00 0.36 0.00 0.00 54.97 56.88 2wrk s GLU 110 Cb -0.53 -3.37 -0.11 0.00 0.26 0.00 0.00 34.13 30.38 2wrk s GLU 110 CO 0.41 0.25 1.03 -2.13 -0.54 0.00 0.00 175.26 174.28 2wrk n ARG 111 N 2.92 1.39 -2.76 4.30 0.63 -1.26 -4.84 116.66 117.04 2wrk n ARG 111 Ca -0.02 0.50 -0.43 0.00 -0.92 0.00 0.00 57.85 56.99 2wrk n ARG 111 Cb 0.50 -2.05 -0.03 0.00 0.45 0.00 0.00 32.46 31.33 2wrk n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2wrk s LYS 112 N -2.00 4.06 0.13 -0.14 2.36 -1.26 -4.42 119.74 118.48 2wrk s LYS 112 Ca 0.63 0.94 -0.16 0.00 -2.55 0.00 0.00 55.97 54.82 2wrk s LYS 112 Cb -0.56 -3.72 -0.07 0.00 -1.05 0.00 0.00 37.83 32.43 2wrk s LYS 112 CO 0.57 -0.77 0.57 0.15 1.55 0.00 0.00 175.35 177.42 2wrk s LYS 113 N 3.31 4.05 0.46 4.03 3.01 -1.26 -4.85 119.74 128.49 2wrk s LYS 113 Ca 0.40 0.58 -0.23 0.00 -1.01 0.00 0.00 55.97 55.71 2wrk s LYS 113 Cb -0.13 -3.00 -0.07 0.00 -1.01 0.00 0.00 37.83 33.62 2wrk s LYS 113 CO 0.13 0.51 1.16 1.52 0.51 0.00 0.00 175.35 179.18 2wrk s TYR 114 N -1.39 2.88 0.00 3.18 -0.00 -1.26 -2.78 117.35 117.99 2wrk s TYR 114 Ca 0.36 1.54 0.00 0.00 -0.00 0.00 0.00 57.07 58.97 2wrk s TYR 114 Cb -0.16 -3.37 0.00 0.00 -0.00 0.00 0.00 41.96 38.43 2wrk s TYR 114 CO 0.19 -1.49 0.00 0.41 -0.00 0.00 0.00 175.55 174.67 2wrk n GLY 115 N 0.44 3.07 3.90 5.49 0.00 -1.26 -5.02 105.19 111.82 2wrk n GLY 115 Ca 0.07 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 2wrk n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrk s LYS 116 N 0.00 2.64 0.04 1.61 1.02 -1.12 -4.47 119.74 119.46 2wrk s LYS 116 Ca 0.00 -1.42 0.05 0.00 0.02 0.00 0.00 55.97 54.62 2wrk s LYS 116 Cb 0.00 -2.48 -0.24 0.00 -0.52 0.00 0.00 37.83 34.60 2wrk s LYS 116 CO 0.00 -0.15 0.99 0.45 -0.92 0.00 0.00 175.35 175.72 2wrk h HIS 117 N 0.99 0.14 -0.80 3.18 3.86 -1.01 -3.43 115.15 118.08 2wrk h HIS 117 Ca -0.42 -0.10 -0.33 0.00 -1.16 0.00 0.00 60.37 58.36 2wrk h HIS 117 Cb 1.27 -0.01 -0.29 0.00 1.06 0.00 0.00 27.41 29.44 2wrk h HIS 117 CO 0.49 1.11 -0.84 1.63 0.86 0.00 0.00 177.93 181.19 2wrk n LYS 118 N -3.30 1.09 0.00 2.45 5.02 -1.21 -4.97 118.16 117.24 2wrk n LYS 118 Ca -0.09 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.53 2wrk n LYS 118 Cb 1.00 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 2wrk n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrk n ALA 119 N -0.03 0.00 0.04 7.82 0.00 -1.26 -4.02 120.51 123.06 2wrk n ALA 119 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2wrk n ALA 119 Cb 0.76 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wrk n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrk n ARG 120 N -1.73 0.00 -1.57 0.00 5.12 -1.26 -4.79 116.66 112.43 2wrk n ARG 120 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 2wrk n ARG 120 Cb 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 2wrk n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2wrk n ARG 121 N -2.71 1.56 -3.08 5.56 0.00 -1.26 -4.90 116.66 111.84 2wrk n ARG 121 Ca 0.00 0.34 -0.33 0.00 -0.00 0.00 0.00 57.85 57.86 2wrk n ARG 121 Cb 0.00 -3.17 -0.06 0.00 0.00 0.00 0.00 32.46 29.22 2wrk n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrk s ALA 122 N 9.32 3.30 1.10 5.13 0.00 -1.26 -0.44 121.76 138.92 2wrk s ALA 122 Ca 1.02 0.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.94 2wrk s ALA 122 Cb -0.37 -2.84 0.14 0.00 0.00 0.00 0.00 23.12 20.05 2wrk s ALA 122 CO 0.35 0.30 0.30 -0.35 0.00 0.00 0.00 175.76 176.36 2wrk n PRO 123 N -0.13 -1.57 -2.84 0.00 -0.04 -1.26 -4.84 135.00 124.32 2wrk n PRO 123 Ca 0.03 -0.43 -0.41 0.00 -0.04 0.00 0.00 63.50 62.65 2wrk n PRO 123 Cb 0.53 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 2wrk n PRO 123 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2wrk s GLN 124 N -3.70 4.57 0.23 0.54 0.74 -1.26 -5.02 119.66 115.76 2wrk s GLN 124 Ca 0.59 1.25 -0.30 0.00 0.05 0.00 0.00 55.36 56.96 2wrk s GLN 124 Cb -0.16 -3.40 -0.09 0.00 1.10 0.00 0.00 33.01 30.46 2wrk s GLN 124 CO 0.66 0.15 1.23 -0.47 -0.55 0.00 0.00 175.29 176.31 2wrk s TYR 125 N 0.33 3.34 -0.00 1.67 6.04 -1.26 -5.00 117.35 122.47 2wrk s TYR 125 Ca 0.44 1.41 -0.04 0.00 0.04 0.00 0.00 57.07 58.92 2wrk s TYR 125 Cb -0.21 -3.50 -0.01 0.00 -1.04 0.00 0.00 41.96 37.19 2wrk s TYR 125 CO 0.26 -1.41 -0.08 0.43 -1.54 0.00 0.00 175.55 173.21 2wrk n SER 126 N 2.02 0.87 0.00 4.32 7.64 -1.26 -5.01 113.62 122.20 2wrk n SER 126 Ca 0.03 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2wrk n SER 126 Cb 0.44 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2wrk n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wrk n LYS 127 N -3.33 0.00 0.00 1.43 4.81 -1.26 -5.37 118.16 114.44 2wrk n LYS 127 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2wrk n LYS 127 Cb 0.12 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.17 2wrk n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46